SCHEMBL7537858

SCHEMBL7537858

C1=NO1.Cc1ccc(C)c(OCC(C#N)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.39
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
TACR1 P25103 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8193623 0.92 SCN4A (0.44) SCN4ATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7542680 0.82 TP53 (0.43) TSHRRAB9AMEN1KMT2AMAPT
SCHEMBL7543571 0.79 TSHR (0.46) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7540542 0.79 CYP2C9 (0.41) SCN4ATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7535615 0.76 SMN1; SMN2 (0.45) TSHRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8369947 0.75 CHRNB2 (0.34) SCN4AMEN1KMT2AMAPTCYP2C9
SCHEMBL7539666 0.75 ALDH1A1 (0.44) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7543015 0.73 SCN4A (0.51) SCN4ANPC1RAB9AMEN1KMT2A
SCHEMBL13950676 0.73 HTT (0.52) SCN4ATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7543533 0.72 FFAR1 (0.39) SCN4ATSHRKMT2AMAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362212-B1 POTENT FUNGICIDAL ACTIVITY SHIONOGI & COMPANY, LTD. (JP) 2002-03-26 US disclosed
US-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient TAKASE AKIRA (JP) 2002-03-14 US disclosed
US-6268312-B1 FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-07-31 US disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 US disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient MSMO1, O60361, CBR1 SCN4A 649/4885TSHR 1672/4885SMN1; SMN2 2104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.